N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C24H22F3NO3 — CID 46465102

IUPACN-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C24H22F3NO3/c25-24(26,27)21-12-6-7-13-22(21)31-17-23(29)28-14-19-10-4-5-11-20(19)16-30-15-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,28,29)
InChIKeyVIVNVSPPIYPDKZ-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.12
Rot. Bonds9

About N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 46465102) has the molecular formula C24H22F3NO3 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID46465102
Molecular FormulaC24H22F3NO3
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC NameN-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C24H22F3NO3/c25-24(26,27)21-12-6-7-13-22(21)31-17-23(29)28-14-19-10-4-5-11-20(19)16-30-15-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,28,29)
InChIKeyVIVNVSPPIYPDKZ-UHFFFAOYSA-N
XLogP5.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzylphenoxy)-N-[[2-(ethoxymethyl)phenyl]methyl]acetamide
CID 55599195
3-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 119286417
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
2-(2-tert-butylphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 24536882
[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]thiourea
CID 87565289
2-(N-ethylanilino)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 60512306
methyl (2R)-2-methyl-4-oxo-4-[[2-(phenylmethoxymethyl)phenyl]methylamino]butanoate
CID 97019366
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
1-(2-hydroxyethyl)-3-[[2-(phenylmethoxymethyl)phenyl]methyl]urea
CID 110894223
(2R)-2-amino-N-[[2-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286428
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778

Frequently Asked Questions

What is the IUPAC name of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 46465102) is N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccccc1C(F)(F)F)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is VIVNVSPPIYPDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO3/c25-24(26,27)21-12-6-7-13-22(21)31-17-23(29)28-14-19-10-4-5-11-20(19)16-30-15-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,28,29).
What are the key properties of N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 429.44 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(phenylmethoxymethyl)phenyl]methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 46465102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).